SCHEMBL4846958

SCHEMBL4846958

O=CCCc1c(F)ccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2556155 0.80 TAAR1 (0.41) CES2CES1
SCHEMBL4434490 0.77 CTSL (0.36) CTSLCTSSCTSKFFAR4CES2
SCHEMBL29952440 0.77 CTSL (0.36) CTSLCTSSCTSKFFAR4CES2
SCHEMBL4846068 0.77 CTSL (0.37) CTSLCTSSCTSKCES2CES1
SCHEMBL2690019 0.74 HIF1A (0.33)
SCHEMBL16241902 0.72 TAAR1 (0.35)
SCHEMBL2200019 0.72 TAAR1 (0.61)
SCHEMBL4844190 0.71 ERN1 (0.38) CES2CES1
SCHEMBL4846506 0.71 TAAR1 (0.38) CTSLCTSSCTSKFFAR4CES2
SCHEMBL25247433 0.70 MEP1B (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103096718-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2013-05-08 CN disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B CTSL 700/4885CTSS 1119/4885CTSK 900/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.